(2E)-3-fluoro-N-methylpenta-2,4-dienimidoyl chloride

C6H7ClFN — CID 157029734

IUPAC(2E)-3-fluoro-N-methylpenta-2,4-dienimidoyl chloride
SMILESC=C/C(F)=C\C(Cl)=N\C
InChIInChI=1S/C6H7ClFN/c1-3-5(8)4-6(7)9-2/h3-4H,1H2,2H3/b5-4+,9-6-
InChIKeyRKSREYAISRDBAZ-WEHQGULRSA-N
MW147.58 g/mol
LogP2.29
Rot. Bonds2

About (2E)-3-fluoro-N-methylpenta-2,4-dienimidoyl chloride

(2E)-3-fluoro-N-methylpenta-2,4-dienimidoyl chloride (PubChem CID 157029734) has the molecular formula C6H7ClFN and a molecular weight of 147.58 g/mol. Its IUPAC name is (2E)-3-fluoro-N-methylpenta-2,4-dienimidoyl chloride.

Molecular Properties

Compound Name(2E)-3-fluoro-N-methylpenta-2,4-dienimidoyl chloride
PubChem CID157029734
Molecular FormulaC6H7ClFN
Molecular Weight147.58 g/mol
Exact Mass147.03
IUPAC Name(2E)-3-fluoro-N-methylpenta-2,4-dienimidoyl chloride
SMILESC=C/C(F)=C\C(Cl)=N\C
InChIInChI=1S/C6H7ClFN/c1-3-5(8)4-6(7)9-2/h3-4H,1H2,2H3/b5-4+,9-6-
InChIKeyRKSREYAISRDBAZ-WEHQGULRSA-N
XLogP2.29
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.58
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

7-chloro-3-fluoro-N-methylocta-2,4,6-trien-1-imine
CID 91280483
N-(1-chloro-2-fluoropenta-1,3-dienyl)methanimine
CID 123612263
(2Z)-N-methylpenta-2,4-dienimidoyl fluoride
CID 139386586
(2Z,4E)-N-methylhexa-2,4-dienimidoyl fluoride
CID 142035102
(2Z,4Z)-4-chloro-5-fluoro-N-methylpenta-2,4-dien-1-imine
CID 162436286
4-chloro-N-methylhexa-2,4-dienimidoyl chloride
CID 124027834
(2E)-2-chloro-N-methylpenta-2,4-dienimidoyl chloride
CID 156868272
(2Z)-N-methylpenta-2,4-dienimidoyl chloride
CID 141862005

Frequently Asked Questions

What is the IUPAC name of (2E)-3-fluoro-N-methylpenta-2,4-dienimidoyl chloride?
The IUPAC name of (2E)-3-fluoro-N-methylpenta-2,4-dienimidoyl chloride (CID 157029734) is (2E)-3-fluoro-N-methylpenta-2,4-dienimidoyl chloride.
What is the SMILES notation for (2E)-3-fluoro-N-methylpenta-2,4-dienimidoyl chloride?
The canonical SMILES for (2E)-3-fluoro-N-methylpenta-2,4-dienimidoyl chloride is C=C/C(F)=C\C(Cl)=N\C.
What is the InChIKey of (2E)-3-fluoro-N-methylpenta-2,4-dienimidoyl chloride?
The InChIKey is RKSREYAISRDBAZ-WEHQGULRSA-N. The full InChI is InChI=1S/C6H7ClFN/c1-3-5(8)4-6(7)9-2/h3-4H,1H2,2H3/b5-4+,9-6-.
What are the key properties of (2E)-3-fluoro-N-methylpenta-2,4-dienimidoyl chloride?
(2E)-3-fluoro-N-methylpenta-2,4-dienimidoyl chloride has a molecular weight of 147.58 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3-fluoro-N-methylpenta-2,4-dienimidoyl chloride is sourced from PubChem (CID 157029734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).